2-Chlorocinnamic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H7ClO2
Molecular Weight	182.604
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 2-Chlorocinnamic acid

Structure Search

SMILES

OC(=O)\C=C\C1=CC=CC=C1Cl

InChI

InChIKey=KJRRTHHNKJBVBO-AATRIKPKSA-N

InChI=1S/C9H7ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+

HIDE SMILES / InChI

Molecular Formula	C9H7ClO2
Molecular Weight	182.604
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:57:14 GMT 2023` Edited by `admin` on `Sat Dec 16 12:57:14 GMT 2023`
Record UNII	LT5X82W7YR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Chlorocinnamic acid

Systematic Name

English

2-Propenoic acid, 3-(2-chlorophenyl)-

Systematic Name

English

NSC-52173

Code

English

o-Chlorocinnamic acid

Systematic Name

English

(2E)-3-(2-Chlorophenyl)-2-propenoic acid

Systematic Name

English

NSC-4792

Code

English

Cinnamic acid, o-chloro-

Systematic Name

English

3-(2-Chlorophenyl)-2-propenoic acid

Systematic Name

English

2-Propenoic acid, 3-(2-chlorophenyl)-, (2E)-

Systematic Name

English

Code System Code Type Description

FDA UNII

LT5X82W7YR

Created by admin on Sat Dec 16 12:57:14 GMT 2023 , Edited by admin on Sat Dec 16 12:57:14 GMT 2023

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PUBCHEM

700642

Created by admin on Sat Dec 16 12:57:14 GMT 2023 , Edited by admin on Sat Dec 16 12:57:14 GMT 2023

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EPA CompTox

DTXSID001035212

Created by admin on Sat Dec 16 12:57:14 GMT 2023 , Edited by admin on Sat Dec 16 12:57:14 GMT 2023

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CAS

939-58-2

Created by admin on Sat Dec 16 12:57:14 GMT 2023 , Edited by admin on Sat Dec 16 12:57:14 GMT 2023

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ECHA (EC/EINECS)

223-154-2

Created by admin on Sat Dec 16 12:57:14 GMT 2023 , Edited by admin on Sat Dec 16 12:57:14 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

NSC

52173

Created by admin on Sat Dec 16 12:57:14 GMT 2023 , Edited by admin on Sat Dec 16 12:57:14 GMT 2023

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CAS

3752-25-8

Created by admin on Sat Dec 16 12:57:14 GMT 2023 , Edited by admin on Sat Dec 16 12:57:14 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

ECHA (EC/EINECS)

213-363-7

Created by admin on Sat Dec 16 12:57:14 GMT 2023 , Edited by admin on Sat Dec 16 12:57:14 GMT 2023

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NSC

4792

Created by admin on Sat Dec 16 12:57:14 GMT 2023 , Edited by admin on Sat Dec 16 12:57:14 GMT 2023

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